1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile

C17H19N3O2S — CID 134077502

IUPAC1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(N2CC3(CCN(C(=O)C4(C#N)CC4)C3)CC2=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-2-3-14(23-12)20-11-16(8-13(20)21)6-7-19(10-16)15(22)17(9-18)4-5-17/h2-3H,4-8,10-11H2,1H3
InChIKeyRCBQWRZKOBVOHQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.32
Rot. Bonds2

About 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile

1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 134077502) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile
PubChem CID134077502
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(N2CC3(CCN(C(=O)C4(C#N)CC4)C3)CC2=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-2-3-14(23-12)20-11-16(8-13(20)21)6-7-19(10-16)15(22)17(9-18)4-5-17/h2-3H,4-8,10-11H2,1H3
InChIKeyRCBQWRZKOBVOHQ-UHFFFAOYSA-N
XLogP2.32
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373985
(5R)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373986
2-(3-Fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131652380
7-(1-Fluorocyclobutanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131685204
2-(5-Methylthiophen-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834946
7-(Cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834947
7-(2-Hydroxyethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155836570
7-(Cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131643245
7-(Cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131658633
2-[(E)-4-(dimethylamino)but-2-enoyl]-5-(5-methylthiophen-2-yl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 176557567
(5S)-2-(5-methylthiophen-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374121
(5R)-2-(5-methylthiophen-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile (CID 134077502) is 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile is Cc1ccc(N2CC3(CCN(C(=O)C4(C#N)CC4)C3)CC2=O)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is RCBQWRZKOBVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-2-3-14(23-12)20-11-16(8-13(20)21)6-7-19(10-16)15(22)17(9-18)4-5-17/h2-3H,4-8,10-11H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile?
1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 329.43 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 134077502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).